4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;[(1R,2R)-2-methanidylcyclohexyl]azanide;platinum(2+)

C14H21NO4Pt — CID 158983442

IUPAC4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;[(1R,2R)-2-methanidylcyclohexyl]azanide;platinum(2+)
SMILESCC(=O)C1=C(O)C(C)OC1=O.[CH2-][C@@H]1CCCC[C@H]1[NH-].[Pt+2]
InChIInChI=1S/C7H13N.C7H8O4.Pt/c1-6-4-2-3-5-7(6)8;1-3(8)5-6(9)4(2)11-7(5)10;/h6-8H,1-5H2;4,9H,1-2H3;/q-2;;+2/t6-,7-;;/m1../s1
InChIKeyCLOIMYBWGROIMP-GPJOBVNKSA-N
MW462.40 g/mol
LogP2.76
Rot. Bonds1

About 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;[(1R,2R)-2-methanidylcyclohexyl]azanide;platinum(2+)

4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;[(1R,2R)-2-methanidylcyclohexyl]azanide;platinum(2+) (PubChem CID 158983442) has the molecular formula C14H21NO4Pt and a molecular weight of 462.40 g/mol. Its IUPAC name is 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;[(1R,2R)-2-methanidylcyclohexyl]azanide;platinum(2+).

Molecular Properties

Compound Name4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;[(1R,2R)-2-methanidylcyclohexyl]azanide;platinum(2+)
PubChem CID158983442
Molecular FormulaC14H21NO4Pt
Molecular Weight462.40 g/mol
Exact Mass462.11
IUPAC Name4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;[(1R,2R)-2-methanidylcyclohexyl]azanide;platinum(2+)
SMILESCC(=O)C1=C(O)C(C)OC1=O.[CH2-][C@@H]1CCCC[C@H]1[NH-].[Pt+2]
InChIInChI=1S/C7H13N.C7H8O4.Pt/c1-6-4-2-3-5-7(6)8;1-3(8)5-6(9)4(2)11-7(5)10;/h6-8H,1-5H2;4,9H,1-2H3;/q-2;;+2/t6-,7-;;/m1../s1
InChIKeyCLOIMYBWGROIMP-GPJOBVNKSA-N
XLogP2.76
TPSA87.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;[(1R,2R)-2-methanidylcyclohexyl]azanide;platinum(2+)?
The IUPAC name of 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;[(1R,2R)-2-methanidylcyclohexyl]azanide;platinum(2+) (CID 158983442) is 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;[(1R,2R)-2-methanidylcyclohexyl]azanide;platinum(2+).
What is the SMILES notation for 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;[(1R,2R)-2-methanidylcyclohexyl]azanide;platinum(2+)?
The canonical SMILES for 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;[(1R,2R)-2-methanidylcyclohexyl]azanide;platinum(2+) is CC(=O)C1=C(O)C(C)OC1=O.[CH2-][C@@H]1CCCC[C@H]1[NH-].[Pt+2].
What is the InChIKey of 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;[(1R,2R)-2-methanidylcyclohexyl]azanide;platinum(2+)?
The InChIKey is CLOIMYBWGROIMP-GPJOBVNKSA-N. The full InChI is InChI=1S/C7H13N.C7H8O4.Pt/c1-6-4-2-3-5-7(6)8;1-3(8)5-6(9)4(2)11-7(5)10;/h6-8H,1-5H2;4,9H,1-2H3;/q-2;;+2/t6-,7-;;/m1../s1.
What are the key properties of 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;[(1R,2R)-2-methanidylcyclohexyl]azanide;platinum(2+)?
4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;[(1R,2R)-2-methanidylcyclohexyl]azanide;platinum(2+) has a molecular weight of 462.40 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;[(1R,2R)-2-methanidylcyclohexyl]azanide;platinum(2+) is sourced from PubChem (CID 158983442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).